(6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione

C11H12N4O2 — CID 136951403

IUPAC(6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione
SMILESCc1ccccc1N/N=C1\CC(=O)NC(=O)N1
InChIInChI=1S/C11H12N4O2/c1-7-4-2-3-5-8(7)14-15-9-6-10(16)13-11(17)12-9/h2-5,14H,6H2,1H3,(H2,12,13,15,16,17)
InChIKeyVOCBDWVKJQALRB-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.95
Rot. Bonds2

About (6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione

(6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione (PubChem CID 136951403) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is (6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione
PubChem CID136951403
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name(6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione
SMILESCc1ccccc1N/N=C1\CC(=O)NC(=O)N1
InChIInChI=1S/C11H12N4O2/c1-7-4-2-3-5-8(7)14-15-9-6-10(16)13-11(17)12-9/h2-5,14H,6H2,1H3,(H2,12,13,15,16,17)
InChIKeyVOCBDWVKJQALRB-UHFFFAOYSA-N
XLogP0.95
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione
CID 137176460
5-methyl-1H-quinoline-2,4-dione
CID 131700013
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695897
2-methyl-N-[(Z)-2-methyliminoethylideneamino]aniline
CID 139317640
N,2-dimethylaniline
CID 163768915
N'-(2-methylanilino)azepane-1-carboximidamide
CID 10037578
4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one
CID 22294536
N-(2-methylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344864
4-(2-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2851771
CID 69134570
CID 69134570
N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112985929
(4R)-4-(4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 810290

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione?
The IUPAC name of (6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione (CID 136951403) is (6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione?
The canonical SMILES for (6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione is Cc1ccccc1N/N=C1\CC(=O)NC(=O)N1.
What is the InChIKey of (6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione?
The InChIKey is VOCBDWVKJQALRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-4-2-3-5-8(7)14-15-9-6-10(16)13-11(17)12-9/h2-5,14H,6H2,1H3,(H2,12,13,15,16,17).
What are the key properties of (6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione?
(6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 136951403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).